N-[(2S)-1-(7-azanylheptylamino)-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide

Systemtic Name: N-[(2S)-1-(7-azanylheptylamino)-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]butanamide Openeye Name: N-[(1S)-2-(7-aminoheptylamino)-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]butanamide CAS Name: N-[(2S)-1-(7-aminoheptylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide IUPAC Name: N-[(2S)-1-(7-aminoheptylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanamide Traditional Name: N-[(1S)-2-(7-aminoheptylamino)-1-(4-hydroxybenzyl)-2-keto-ethyl]butyramide Formula: C20H33N3O3 MolecularWeight: 363.49432

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCCCCCCCN

Isomeric SMILES

CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCCCCCCCN

InChI

InChI=1S/C20H33N3O3/c1-2-8-19(25)23-18(15-16-9-11-17(24)12-10-16)20(26)22-14-7-5-3-4-6-13-21/h9-12,18,24H,2-8,13-15,21H2,1H3,(H,22,26)(H,23,25)/t18-/m0/s1